Information card for entry 2236386

Structure parameters

• Chemical name: 1-(Piperidin-1-yl)-9,10-anthraquinone
• Formula: C19 H17 N O2
• Calculated formula: C19 H17 N O2
• SMILES: c1(cccc2C(=O)c3ccccc3C(=O)c12)N1CCCCC1
• Title of publication: 1-(Piperidin-1-yl)-9,10-anthraquinone
• Authors of publication: Wnuk, Elżbieta; Niedziałkowski, Paweł; Trzybiński, Damian; Ossowski, Tadeusz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 10
• Pages of publication: o2879
• a: 16.7798 ± 0.0004 Å
• b: 6.84599 ± 0.00014 Å
• c: 12.6126 ± 0.0003 Å
• α: 90°
• β: 90.723 ± 0.002°
• γ: 90°
• Cell volume: 1448.75 ± 0.06 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0457
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0997
• Weighted residual factors for all reflections included in the refinement: 0.106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes